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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6
BDBM50140480

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140480
PNG
((2E,4E)-5-Phenyl-penta-2,4-dienoic acid (1-acetyl-...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\C=C\c1ccccc1
Show InChI InChI=1S/C33H35N3O2/c1-26(37)35-23-18-29-16-17-31(24-32(29)35)36(33(38)15-9-8-12-27-10-4-2-5-11-27)30-19-21-34(22-20-30)25-28-13-6-3-7-14-28/h2-17,24,30H,18-23,25H2,1H3/b12-8+,15-9+
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50140480
PNG
((2E,4E)-5-Phenyl-penta-2,4-dienoic acid (1-acetyl-...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\C=C\c1ccccc1
Show InChI InChI=1S/C33H35N3O2/c1-26(37)35-23-18-29-16-17-31(24-32(29)35)36(33(38)15-9-8-12-27-10-4-2-5-11-27)30-19-21-34(22-20-30)25-28-13-6-3-7-14-28/h2-17,24,30H,18-23,25H2,1H3/b12-8+,15-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards the NPY Y2 receptor


Bioorg Med Chem Lett 14: 1239-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.057
BindingDB Entry DOI: 10.7270/Q2M044VK
More data for this
Ligand-Target Pair